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Boscalid

Cat No.:V53058 Purity: ≥98%
Boscalid is an antifungal compound/agent.
Boscalid
Boscalid Chemical Structure CAS No.: 188425-85-6
Product category: Fungal
This product is for research use only, not for human use. We do not sell to patients.
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Other Forms of Boscalid:

  • Boscalid-d4 (boscalid-d4)
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Boscalid is an antifungal compound/agent. Boscalid is a succinate dehydrogenase (SDH) inhibitor.
Biological Activity I Assay Protocols (From Reference)
Targets
succinate dehydrogenase (SDH)[1]
ADME/Pharmacokinetics
Absorption, Distribution and Excretion
Dermal Penetration (rat). Maximum % absorption: 0.01 mg/sq cm = 10.93 (24 hour exposure, 24 hour sacrifice) 0.10 mg/sq cm = 3.76 (24 hour exposure, 24 hour sacrifice) 1.00 mg/sq cm = 1.48 (10 hour exposure, 72 hour sacrifice /From table/
In the rat, Boscalid was readily absorbed and excreted following single oral 50 mg/kg; at single 500 mg/kg or 15 doses of 500 mg/kg, absorption was saturated. Excretion mainly by feces (80-98%). Biliary excretion 40- 50% of fecal activity at 50 mg/kg, 10% at 500 mg/kg. Urine, about 16% at 50 mg/kg, 3-5% at 500 mg/kg. Absorption about 56% at 50 mg/kg and 13-17% at 500 mg/kg. Excretory patterns similar by gender or radiolabel position. /From table/
Metabolism / Metabolites
Three ... groups of Wistar rats were treated and sampled ... for qualitative analyses of metabolites. ... Metabolites were separated by HPLC. Primary identification was by mass spectrometry (MS). ... The most important metabolites were hydroxyl or O-glucuronide metabolites on the diphenyl ring (usually para to the amide nitrogen), and S-glucuronide conjugation products displacing the chlorine on the pyridine ring of the parent compound. The sulfur originated from glutathione (GSH) addition to the ring. GSH was often cleaved to cysteine in bile or feces, or further degraded in feces to a thiol, which in turn was sometimes conjugated as a glucuronide). Tissue residues (liver, kidney, and plasma) were scant ... Some parent BAS 510 F was found in kidneys and plasma. Thus BAS 510 F was effectively metabolized and efficiently excreted.
/In the rat,/ metabolites (hydroxylation and conjugation products) were consistent with Phase I oxidation reactions followed by Phase II conjugation with glucuronic acid or sulfate, or by conjugation of the parent with glutathione with cleavage to sulfate metabolites. /From table/
Biological Half-Life
In the rat, the predominant route of excretion of BAS 510 F is fecal with urinary excretion being minor. The half-life of BAS 510 F is less than 24 hours.
Toxicity/Toxicokinetics
Toxicity Summary
IDENTIFICATION AND USE: Boscalid is a solid. It is used as fungicide, plant health product, seed treatment/protectant. HUMAN EXPOSURE AND TOXICITY: Boscalid may be genotoxic and cytotoxic in vitro in human peripheral blood lymphocytes. ANIMAL STUDIES: Boscalid has a low toxicity in animal studies. In subchronic and chronic feeding studies in rats, mice and dogs, boscalid generally caused decreased body weights and body weight gains and effects on the liver (increase in weights, changes in enzyme levels and histopathological changes) as well as on the thyroid (increase in weights and histopathological changes). In a developmental toxicity study in rats, no developmental toxicity was observed in the fetuses at the highest dose tested. In a developmental toxicity study in rabbits, an increased incidence of abortions or early delivery was observed at the limit dose. The does and fetuses were equally sensitive to the test material. In a 2-generation reproduction study in rats, the NOAEL for parental toxicity was based on decreased body weight and body weight gain as well as hepatocyte degeneration. No reproductive toxicity was observed in this study at the highest dose tested. There was quantitative evidence of increased susceptibility in the developmental neurotoxicity study in rats, where decreases in pup body weights and body weight gains were seen in the absence of any maternal toxicity. In a two-year chronic toxicity study and a two-year carcinogenicity study in male and female rats, the combined data showed that, for thyroid follicular cell adenomas, males had a significant increasing trend, when compared with controls. There was no treatment-related increase in thyroid follicular cell carcinomas. The increase in thyroid follicular cell adenomas appeared to be treatment-related in males. Regarding females, combined data from the two rat studies indicated that there was an increasing trend for thyroid follicular cell adenomas. No carcinomas were observed in female. Boscalid was tested in five mutagenicity studies and was found to be negative in all of them. ECOTOXICITY STUDIES: Boscalid is categorized as practically nontoxic to birds in both an acute and subacute studies. Boscalid was harmless to adult Galendromus occidentalis. Boscalid use does not represent a risk to plants. Commercial producers of honey bee queens (Apis mellifera L.) have reported unexplained loss of immature queens during the larval or pupal stage. Many affected queen-rearing operations are situated among the almond orchards of California and report these losses in weeks after almond trees bloom. Almond flowers are a rich foraging resource for bees, but are often treated with fungicides, insecticides, and spray adjuvants during bloom. Anecdotal reports by queen producers associate problems in queen development with application of the fungicide Pristine (boscalid and pyraclostrobin). Chemical analysis revealed that low concentrations of pyraclostrobin (50 ppb), but no boscalid, were detectable in royal jelly secreted by nurse bees feeding on treated pollen.
Toxicity Data
LC50 (rat) > 6,700 mg/m3
Non-Human Toxicity Values
LD50 Rat oral >5,000 mg/kg (Technical boscalid) /From table/
LD50 Rat dermal >2,000 mg/kg (Technical boscalid) /From table/
References

[1]. Fungicide composition comprising pyridine carboxamide, strobilurin and dithiocarbamate. Patent. WO2023042225 A1. 2023-03-23.

Additional Infomation
Boscalid is a pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an environmental contaminant, a xenobiotic and an antifungal agrochemical. It is a member of biphenyls, a pyridinecarboxamide, a member of monochlorobenzenes and an anilide fungicide. It is functionally related to a nicotinic acid.
Boscalid has been investigated for the treatment of OSDI, Glaucoma, Staining, Schirmers, and Disease Severity, among others.
Boscalid has been reported in Ganoderma lucidum with data available.
Boscalid is a fungicide developed by BASF and launched in 2003 for use on food crops. It works as a succinate dehydrogenase inhibitor to kill fungal target organisms. It is practically nontoxic to terrestrial animals and is moderately toxic to aquatic animals on an acute exposure basis. In subchronic and chronic feeding studies in rats, mice and dogs, boscalid generally caused decreased body weights and body weight gains (primarily in mice) and effects on the liver (increase in weights, changes in enzyme levels and histopathological changes) as well as on the thyroid (increase in weights and histopathological changes). In a developmental toxicity study in rats, no developmental toxicity was observed in the fetuses at the highest dose tested. Boscalid is classified as, suggestive evidence of carcinogenicity, but not sufficient to assess human carcinogenic potential, according to the EPA.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C18H12CL2N2O
Molecular Weight
343.21
Exact Mass
342.032
CAS #
188425-85-6
Related CAS #
Boscalid-d4;2468796-76-9
PubChem CID
213013
Appearance
White to off-white solid powder
Density
1.3±0.1 g/cm3
Boiling Point
557.0±60.0 °C at 760 mmHg
Melting Point
142.8 to 143.8ºC
Flash Point
290.7±32.9 °C
Vapour Pressure
0.0±1.6 mmHg at 25°C
Index of Refraction
1.636
LogP
5.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Heavy Atom Count
23
Complexity
399
Defined Atom Stereocenter Count
0
InChi Key
WYEMLYFITZORAB-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
Chemical Name
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : 100 mg/mL (291.37 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9137 mL 14.5683 mL 29.1367 mL
5 mM 0.5827 mL 2.9137 mL 5.8273 mL
10 mM 0.2914 mL 1.4568 mL 2.9137 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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